5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide

C16H24ClN3O4S — CID 120894308

IUPAC5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C16H24ClN3O4S/c1-10-11(2)20(7-6-18-10)25(22,23)14-9-12(17)8-13(15(14)24-5)16(21)19(3)4/h8-11,18H,6-7H2,1-5H3
InChIKeyHXHXGOPPPUKDCE-UHFFFAOYSA-N
MW389.91 g/mol
LogP1.42
Rot. Bonds4

About 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide

5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide (PubChem CID 120894308) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide
PubChem CID120894308
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C16H24ClN3O4S/c1-10-11(2)20(7-6-18-10)25(22,23)14-9-12(17)8-13(15(14)24-5)16(21)19(3)4/h8-11,18H,6-7H2,1-5H3
InChIKeyHXHXGOPPPUKDCE-UHFFFAOYSA-N
XLogP1.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
CID 120893956
3-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894234
3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894025
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 120894133
3-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894221
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706
methyl 3-chloro-4-(2,3-dimethylpiperazin-1-yl)sulfonylbenzoate
CID 120726046
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
CID 120893997
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide (CID 120894308) is 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCNC(C)C1C.
What is the InChIKey of 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is HXHXGOPPPUKDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-10-11(2)20(7-6-18-10)25(22,23)14-9-12(17)8-13(15(14)24-5)16(21)19(3)4/h8-11,18H,6-7H2,1-5H3.
What are the key properties of 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide?
5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 389.91 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 120894308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).